N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide

C20H31ClN4O — CID 51636347

IUPACN-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C20H31ClN4O/c1-2-23-10-12-24(13-11-23)16-20(26)22-19-4-3-9-25(15-19)14-17-5-7-18(21)8-6-17/h5-8,19H,2-4,9-16H2,1H3,(H,22,26)/t19-/m1/s1
InChIKeyXBHBWXCJKIAGTA-LJQANCHMSA-N
MW378.95 g/mol
LogP2.06
Rot. Bonds6

About N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide

N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide (PubChem CID 51636347) has the molecular formula C20H31ClN4O and a molecular weight of 378.95 g/mol. Its IUPAC name is N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide
PubChem CID51636347
Molecular FormulaC20H31ClN4O
Molecular Weight378.95 g/mol
Exact Mass378.22
IUPAC NameN-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C20H31ClN4O/c1-2-23-10-12-24(13-11-23)16-20(26)22-19-4-3-9-25(15-19)14-17-5-7-18(21)8-6-17/h5-8,19H,2-4,9-16H2,1H3,(H,22,26)/t19-/m1/s1
InChIKeyXBHBWXCJKIAGTA-LJQANCHMSA-N
XLogP2.06
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.95
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 24791479
N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide
CID 75927878
N-(1-acetylpiperidin-4-yl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 55446686
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 42196066
2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide
CID 54551711
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 25447187
N-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide
CID 107025229
[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid
CID 155341898
[1-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]phosphonic acid
CID 170164675
2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide
CID 62404425

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide (CID 51636347) is N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide is CCN1CCN(CC(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide?
The InChIKey is XBHBWXCJKIAGTA-LJQANCHMSA-N. The full InChI is InChI=1S/C20H31ClN4O/c1-2-23-10-12-24(13-11-23)16-20(26)22-19-4-3-9-25(15-19)14-17-5-7-18(21)8-6-17/h5-8,19H,2-4,9-16H2,1H3,(H,22,26)/t19-/m1/s1.
What are the key properties of N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide?
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide has a molecular weight of 378.95 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 51636347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).